(5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one

C17H19N3O2SSi — CID 175889961

IUPAC(5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one
SMILESC[Si](C)(C)C#C[C@@H]1CNC(=O)N1c1nc2c3c(ccc2s1)OCC3
InChIInChI=1S/C17H19N3O2SSi/c1-24(2,3)9-7-11-10-18-16(21)20(11)17-19-15-12-6-8-22-13(12)4-5-14(15)23-17/h4-5,11H,6,8,10H2,1-3H3,(H,18,21)/t11-/m1/s1
InChIKeyHSDOMRSVEGDFRR-LLVKDONJSA-N
MW357.51 g/mol
LogP3.01
Rot. Bonds1

About (5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one

(5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one (PubChem CID 175889961) has the molecular formula C17H19N3O2SSi and a molecular weight of 357.51 g/mol. Its IUPAC name is (5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one.

Molecular Properties

Compound Name(5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one
PubChem CID175889961
Molecular FormulaC17H19N3O2SSi
Molecular Weight357.51 g/mol
Exact Mass357.10
IUPAC Name(5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one
SMILESC[Si](C)(C)C#C[C@@H]1CNC(=O)N1c1nc2c3c(ccc2s1)OCC3
InChIInChI=1S/C17H19N3O2SSi/c1-24(2,3)9-7-11-10-18-16(21)20(11)17-19-15-12-6-8-22-13(12)4-5-14(15)23-17/h4-5,11H,6,8,10H2,1-3H3,(H,18,21)/t11-/m1/s1
InChIKeyHSDOMRSVEGDFRR-LLVKDONJSA-N
XLogP3.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.51
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-[(dimethylamino)methyl]imidazolidin-2-one
CID 167021244
(5S)-1-([1,3]dioxolo[4,5-e][1,3]benzothiazol-7-yl)-5-prop-1-ynylimidazolidin-2-one
CID 156812603
(5S)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-4,5-dimethylimidazolidin-2-one
CID 166682478
(3aR,4R,6aR)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-4-(dimethylamino)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one
CID 167445465
(3aS,6S,6aR)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-6-(dimethylamino)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one
CID 167445492
(3aR,6R,6aS)-6-amino-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-2-one
CID 167445502
2-[(5R)-5-ethynylimidazolidin-1-yl]-7,8-dihydrofuro[3,2-e][1,3]benzothiazole
CID 175890111
(3aS,8aR)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-methyl-3a,4,6,7,8,8a-hexahydro-3H-imidazo[4,5-c]azepin-2-one
CID 170032351
(3aR,7R,7aR)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-7-fluoro-5-methyl-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 170032758
1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)spiro[3,3a,4,5,7,7a-hexahydroimidazo[4,5-c]pyridine-6,1'-cyclopropane]-2-one
CID 170032658
2-[[(3aR,5S,6aS)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-2-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazol-5-yl]amino]acetonitrile
CID 177070937
5-(azetidin-3-yl)-3-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-1,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 170032646

Frequently Asked Questions

What is the IUPAC name of (5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one?
The IUPAC name of (5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one (CID 175889961) is (5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one.
What is the SMILES notation for (5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one?
The canonical SMILES for (5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one is C[Si](C)(C)C#C[C@@H]1CNC(=O)N1c1nc2c3c(ccc2s1)OCC3.
What is the InChIKey of (5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one?
The InChIKey is HSDOMRSVEGDFRR-LLVKDONJSA-N. The full InChI is InChI=1S/C17H19N3O2SSi/c1-24(2,3)9-7-11-10-18-16(21)20(11)17-19-15-12-6-8-22-13(12)4-5-14(15)23-17/h4-5,11H,6,8,10H2,1-3H3,(H,18,21)/t11-/m1/s1.
What are the key properties of (5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one?
(5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one has a molecular weight of 357.51 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-(7,8-dihydrofuro[3,2-e][1,3]benzothiazol-2-yl)-5-(2-trimethylsilylethynyl)imidazolidin-2-one is sourced from PubChem (CID 175889961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).